IN-SILICO MOLECULAR DOCKING STUDY OF FLAVONOIDS AGAINST PROSTAGLANDIN SYNTHETASE ENZYME

  • Unique Paper ID: 194620
  • Volume: 12
  • Issue: 10
  • PageNo: 5306-5309
  • Abstract:
  • Inflammation is a physiological process and a self-controlled immune response to agents like infections, irritants, and injured cells. Inflammation is linked to a wide range of acute and chronic disorders, including rheumatoid arthritis, multiple sclerosis, chronic asthma, cardiovascular disease, allergies, atherosclerosis, and cancer. Molecular docking has gained considerable importance in the investigation of ligand protein interactions for the prediction of improved therapeutic efficacy. The present study focuses on a molecular docking analysis performed using Molegro Virtual Docker software, with binding affinity expressed as the MolDock score. Molecular docking is a computational technique used to explore ligand protein interactions and to evaluate the corresponding binding energies. Protein structures of prostaglandin synthetase were retrieved from the Protein Data Bank and docked with selected flavonoids and a standard compound. Two-dimensional and three-dimensional interaction analyses were carried out to examine hydrogen bonding, electrostatic interactions, and van der Waals forces. The observed interactions suggest potential inhibition of prostaglandin synthetase enzyme activity, which may contribute to the expected therapeutic effect.

Copyright & License

Copyright © 2026 Authors retain the copyright of this article. This article is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

BibTeX

@article{194620,
        author = {PADMA LADDA and SHEELA THORAT},
        title = {IN-SILICO MOLECULAR DOCKING STUDY OF FLAVONOIDS AGAINST PROSTAGLANDIN SYNTHETASE ENZYME},
        journal = {International Journal of Innovative Research in Technology},
        year = {2026},
        volume = {12},
        number = {10},
        pages = {5306-5309},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=194620},
        abstract = {Inflammation is a physiological process and a self-controlled immune response to agents like infections, irritants, and injured cells. Inflammation is linked to a wide range of acute and chronic disorders, including rheumatoid arthritis, multiple sclerosis, chronic asthma, cardiovascular disease, allergies, atherosclerosis, and cancer. Molecular docking has gained considerable importance in the investigation of ligand protein interactions for the prediction of improved therapeutic efficacy. The present study focuses on a molecular docking analysis performed using Molegro Virtual Docker software, with binding affinity expressed as the MolDock score. Molecular docking is a computational technique used to explore ligand protein interactions and to evaluate the corresponding binding energies. Protein structures of prostaglandin synthetase were retrieved from the Protein Data Bank and docked with selected flavonoids and a standard compound. Two-dimensional and three-dimensional interaction analyses were carried out to examine hydrogen bonding, electrostatic interactions, and van der Waals forces. The observed interactions suggest potential inhibition of prostaglandin synthetase enzyme activity, which may contribute to the expected therapeutic effect.},
        keywords = {Molecular docking, Flavonoids, MolDock Software, Prostaglandin synthetase enzyme.},
        month = {March},
        }

Cite This Article

LADDA, P., & THORAT, S. (2026). IN-SILICO MOLECULAR DOCKING STUDY OF FLAVONOIDS AGAINST PROSTAGLANDIN SYNTHETASE ENZYME. International Journal of Innovative Research in Technology (IJIRT), 12(10), 5306–5309.

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